├── .gitattributes ├── SCICHEM3.3_Updates.pdf ├── 3002022845 Users Guide.pdf ├── 3002022845 Support Document.pdf ├── 3002022845 Technical Documentation.pdf ├── CTM2SCICHEM.tar ├── SCICHEM3.3-binary.tar ├── SCICHEM-3.3-FC_MEDOC.tgz ├── SCICHEM3.3-Examples.tar ├── README-Examples.txt ├── README-Build-Instructions.txt └── README.txt /.gitattributes: -------------------------------------------------------------------------------- 1 | *.tar filter=lfs diff=lfs merge=lfs -text 2 | *.tgz filter=lfs diff=lfs merge=lfs -text 3 | -------------------------------------------------------------------------------- /SCICHEM3.3_Updates.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/epri-dev/SCICHEM_archived/HEAD/SCICHEM3.3_Updates.pdf -------------------------------------------------------------------------------- /3002022845 Users Guide.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/epri-dev/SCICHEM_archived/HEAD/3002022845 Users Guide.pdf -------------------------------------------------------------------------------- /3002022845 Support Document.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/epri-dev/SCICHEM_archived/HEAD/3002022845 Support Document.pdf -------------------------------------------------------------------------------- /3002022845 Technical Documentation.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/epri-dev/SCICHEM_archived/HEAD/3002022845 Technical Documentation.pdf -------------------------------------------------------------------------------- /CTM2SCICHEM.tar: -------------------------------------------------------------------------------- 1 | version https://git-lfs.github.com/spec/v1 2 | oid sha256:f66a95705523d25a09ee3266ba7ab4c9a744b682b984ad324ba74d11600a356b 3 | size 49757184 4 | -------------------------------------------------------------------------------- /SCICHEM3.3-binary.tar: -------------------------------------------------------------------------------- 1 | version https://git-lfs.github.com/spec/v1 2 | oid sha256:2c3ef98d995d404150b6b2f9a5fe22301a1804414522f0f22ecab420281490fe 3 | size 1591232000 4 | -------------------------------------------------------------------------------- /SCICHEM-3.3-FC_MEDOC.tgz: -------------------------------------------------------------------------------- 1 | version https://git-lfs.github.com/spec/v1 2 | oid sha256:758d98f4de3db2c1462b279d6b4441874e751b9ec3ee1dda95e82e12956e3012 3 | size 671691855 4 | -------------------------------------------------------------------------------- /SCICHEM3.3-Examples.tar: -------------------------------------------------------------------------------- 1 | version https://git-lfs.github.com/spec/v1 2 | oid sha256:f557dba59cd9a6b32253ea08bddd9d98342cab140cbc68da736d174985bdbf13 3 | size 1273444352 4 | -------------------------------------------------------------------------------- /README-Examples.txt: -------------------------------------------------------------------------------- 1 | Examples provided with the SCICHEM 3.3 package 2 | 3 | Brief descriptions of the four example cases provided with the 4 | distribution are given below. The examples are hypothetical and 5 | are provided for illustrative purposes so that the user can test 6 | the setup of the model and run through the tutorials. For additional 7 | details please refer to the "Tutorial" section (Appendix A) of the User's Guide. 8 | 9 | 1) so2_2005: This is an annual 1-hour SO2 example with no chemistry and a 10 | hypothetical SO2 source. This example uses keyword format input files. 11 | 12 | 2) no2_mc_2005: This is an annual 1-hour NO2 example with an optimized NO-NO2-O3 13 | chemistry mechanism for near-source calculations and a hypothetical NOx source. 14 | This example also uses keyword format input files. 15 | 16 | 3) tva: This is a one-day case study with the full photochemical mechanism (CB6r2) 17 | and hypothetical SO2 and NOx emissions for power plant plume impacts on downwind ozone. 18 | The example uses the location of the TVA Cumberland power plant located in northwestern 19 | Tennessee. This example uses namelist type input files. 20 | c 21 | 4) SW_ss: This is a multi-day power plant plume case study with the full 22 | photochemical mechanism and aerosol and aqueous-phase chemistry for ozone 23 | and secondary PM2.5 impacts. This example uses 3-D meteorology fields based on WRF 24 | outputs processed with MMF and hypothetical SO2 and NOx emissions. The power plant 25 | is located in the Four Corners region in the southwestern US. This example uses namelist 26 | type input files. 27 | -------------------------------------------------------------------------------- /README-Build-Instructions.txt: -------------------------------------------------------------------------------- 1 | Date: 18 November 2021 2 | 3 | Developer contact information: 4 | 5 | 1) Douglas Henn 6 | Xator 7 | 3836 Quakerbridge Road 8 | Suite 102 9 | Princeton 10 | NJ 08619-1006 11 | douglas.henn@xatorcorp.com 12 | 13 | 2) Prakash Karamchandani 14 | Ramboll 15 | 7250 Redwood Boulevard 16 | Suite 105 17 | Novato, CA 94945 18 | pkaramchandani@ramboll.com 19 | 20 | 21 | **Source Code and Compilers:** 22 | 1. Fortran and C 23 | 2. Intel Fortran, gcc 24 | 25 | **Third-Party (and/or Open Source) software: None** 26 | *For 64 bit systems (Shared libraries for HDF5 1.8.7 and NETCDF 27 | static library version 4.1.2 are included with the distribution) 28 | 29 | **Computer system requirements to recompile software:** 30 | Linux 64 bit system (x68_64) with Intel Fortran compiler for standard build 31 | Windows 8 or above with Intel Fortran and C compilers for advanced build 32 | 33 | **Steps to recompile software** 34 | 35 | *Regular build on 64-bit Linux system:* 36 | 1) Unzip the tar file on a Linux system using: 37 | $ tar -xvf SCICHEM-3.3-Binary.tar 38 | 2) Change to build directory: 39 | $ cd build/linux 40 | 3) Run build script: 41 | $ bash makeall.sh 42 | 4) The executable and shared library files listed below will be created 43 | under the build/linux/ifort directory as well as copied to bin/linux: 44 | metsci, tersci, runsci, sciDOSpost, scipp 45 | 46 | 47 | *Advanced build on 32-bit or 64-bit Linux/Unix system**: 48 | 1) Unzip the tar file on a Linux/Unix system using: 49 | $ tar -xvf SCICHEM-3.3-Binary.tar 50 | 2) Download the NETCDF library version 4.1.2 or later as source code 51 | or static libraries for the system from 52 | [NETCDF Homepage](http://www.unidata.ucar.edu/software/netcdf) 53 | If source code is being used then the user will have to create static 54 | library based on the build instructions from the netcdf website. 55 | 3) Download the HDF library version 1.8.7 or later as source code or 56 | dynamic libraries for the system from [HDF Homepage](http://www.hdfgroup.org) 57 | If source code is being used then the user will have to create 58 | dynamic libraries based on the build instructions from the HDF website. 59 | 4) Change to build directory: 60 | $ cd build/linux 61 | 5) Edit the build script to set the NETCDF_LIB_PATH and HDF_LIB_PATH based 62 | on the location of the netcdf and HDF5 libraries. 63 | 6) If the build is created using a non Intel compiler then the user will 64 | have to create a configuration file similar to make.ifort for the 65 | compiler being used. 66 | 7) Change the settings for the "Compiler_Version" and "Compiler" in makeall.sh 67 | to compiler being used. 68 | 8) Run build script: 69 | $ bash makeall.sh 70 | 9) The executable and shared library files listed below will be created 71 | under the build/linux/ifort directory as well as copied to bin/linux: 72 | metsci, tersci, runsci, sciDOSpost, scipp 73 | 74 | *The information is provided to the user for convenience. 75 | However, the code has not been tested extensively with other compilers or systems. 76 | 77 | *Regular build on 64-bit Windows system**: 78 | 79 | Note: Only project files for Intel compiler with Visual Studio 2013 are provided 80 | for building the SCIPUFFgui executable for Windows. 81 | 82 | 1) Unzip the tar file "SCICHEM-3.3-Binary.tar" on the Windows system using 7-Zip. 83 | 2) Open the EPRI.sln solution file with Visual Studio 2013. 84 | 3) Include the NETCDF and HDF library path in the include path for the projects. 85 | 4) Build the executable files. 86 | 5) The executable and dynamic library files listed below should be created: 87 | metsci.exe, tersci.exe, runsci.exe , SCIPUFFgui.exe, sciDOSpost.exe, 88 | scipp.exe, swim.dll, systool.dll, landuse.dll, messages.dll and SCIPtool.dll 89 | 90 | *Advanced build on 64-bit Windows system**: 91 | 92 | Note: Only project files for Intel compiler with Visual Studio 2013 is provided 93 | for building the SCIPUFFgui executable for Windows. 94 | 95 | 1) Unzip the tar file "SCICHEM-3.3-Binary.tar" on the Windows system using 7-Zip. 96 | 2) Download the NETCDF library version 4.1.2 or later as source code or 97 | static libraries for the system from 98 | [NETCDF Homepage](http://www.unidata.ucar.edu/software/netcdf) 99 | If source code is being used then the user will have to create static library 100 | based on the build instructions from the netcdf website. 101 | 3) Download the HDF library version 1.8.7 or later as source code or dynamic 102 | libraries for the system from [HDF Homepage](http://www.hdfgroup.org) 103 | If source code is being used then the user will have to create dynamic 104 | libraries based on the build instructions from the HDF website. 105 | 4) Open the EPRI.sln solution file with Visual Studio 2013. 106 | 5) Include the NETCDF and HDF library path in the include path for the projects. 107 | 6) Build the executable files. 108 | 7) The executable and dynamic library files listed below should be created: 109 | metsci.exe, tersci.exe, runsci.exe , SCIPUFFgui.exe, sciDOSpost.exe, 110 | scipp.exe, swim.dll, systool.dll, landuse.dll, messages.dll and SCIPtool.dll 111 | 112 | *The information is provided to the user for convenience. However, the code has 113 | not been tested extensively for other versions of Visual Studio or systems. 114 | 115 | 116 | **Passwords required: None** 117 | 118 | **Lines of code: 330,000** 119 | 120 | **Signature(s):** 121 | Douglas Henn 122 | Prakash Karamchandani 123 | -------------------------------------------------------------------------------- /README.txt: -------------------------------------------------------------------------------- 1 | 2 | **SCICHEM 3.3** 3 | 4 | SCICHEM 3.3 is a reactive puff model that can be used to calculate 5 | single or multi-source impacts of emissions at downwind locations. The 6 | model can be used for both short-range calculations (for example, 7 | 1-hour SO2, 1-hour NO2, 24-hour secondary PM2.5, or 8-hour ozone 8 | concentrations at fenceline receptors, or long-range calculations for 9 | primary and secondary pollutant impacts. For 1-hour NO2 applications, 10 | the model uses an optimized near-source NO-NO2-O3 chemistry scheme. 11 | For long-range applications or near-field PM2.5/ozone, the full 12 | chemistry option can be used to calculate downwind ozone and PM2.5 13 | concentrations. 14 | 15 | The full chemistry modules includes a gas-phase chemistry module based 16 | on the latest version of the Carbon Bond mechanism (CB6r2), while the 17 | aerosol and aqueous-phase chemistry modules are based on those found 18 | in the Community Multiscale Air Quality (CMAQ) Model version 4.7.1. A 19 | user-provided input file determines which chemistry option is used. 20 | Sample input files for both 1-hour NO2 concentrations and full 21 | chemistry options are provided with the case studies in the SCICHEM 22 | distribution. In addition to the source code and executable files, the 23 | package includes the following: 24 | 25 | - User's Guide, 26 | - Technical documentation, 27 | - Support document for alternative model PSD compliance demonstration, 28 | - 4 case studies and accompanying tutorials, and 29 | - 3 Readme files 30 | 31 | This distribution includes a limited version of a Graphical User 32 | Interface (GUI), named "SCIPUFFgui, which is provided for the 64-bit 33 | Windows 8 or higher operating system as an aid to the user for 34 | visualization of model results. The GUI can plot concentration contour 35 | plots for surface, horizontal, or vertical slices for all source types. 36 | Note that SCIPUFFgui can also be used to create and run SCICHEM 37 | namelist-type projects. Note that it does not generate keyword-type 38 | projects (introduced in SCICHEM 3.x) and cannot be used to define area 39 | sources. It is recommended to use the GUI primarily for viewing simulation 40 | results or modifying input from existing projects. 41 | 42 | This distribution consists of three readme files, namely "README.txt" 43 | (this file),README-Examples.txt and "READMe-Build-Instructions.txt", 44 | three documents, "3002022845 User's Guide.pdf" and "3002022845 Technical 45 | Documentation.pdf" and "3002022845 Support Document.pdf" and the following 46 | four zipped files (to limit the size of the individual zipped files): 47 | 48 | - SCICHEM-3.3-Binary.tar 49 | - SCICHEM-3.3-Examples.tar 50 | - SCICHEM-3.3-FC_MEDOC.tgz 51 | - CTM2SCICHEM.tar 52 | 53 | All the files should be unzipped in the same directory. These can be 54 | unzipped on Windows using the free software 7-Zip. For running 55 | SCICHEM, the appropriate scipuff.ini file (in the bin/windows/x64 or 56 | bin/linux directory) should be edited so that the paths for the sciData 57 | directory and landuse.dat file point to the correct directory on the 58 | User's system. Details for running the SCIPUFFgui on Windows is 59 | provided in the User's Guide. 60 | 61 | Building downwash in SCICHEM 3.3 is based on PRIME (Schulman et al., 2000). 62 | PRIME has not been updated in over 15 years, and has been shown to overpredict 63 | concentrations by factors of 2 to 8 for certain building types (Petersen et al., 2017). 64 | New treatments for building downwash are being developed (Petersen et al., 2017) 65 | and it is anticipated that future releases of SCICHEM will include these improvements. 66 | Thus, the current default in SCICHEM is to ignore building downwash effects (RUNPRIME = N). 67 | However, in case the user wishes to activate the building downwash option, 68 | the user can do so by setting RUNPRIME to Y and providing the building dimensions 69 | from the BPIPPRM output in the SO section. See the User's guide for details. 70 | 71 | The Mesoscale Model Interface Program (MMIF) on the U.S. EPA SCRAM web 72 | site can be used to convert prognostic meteorological model (MM5 and/or 73 | WRF) outputs to SCICHEM ready meteorological inputs. SCICHEM 3.2 or later 74 | requires MMIF version 3.4 or later for compatibility. 75 | 76 | This is a full release that has been tested for a number of conditions. 77 | Windows and Linux versions of the executables are provided with the 78 | distribution. Both the Windows and Linux builds were created using the 79 | Intel compiler. For users interested in building the executable files 80 | on Linux or Windows machines, build scripts and Visual Fortran project 81 | files for the Intel compiler are provided. Users can create builds 82 | using other compilers but builds with non-Intel compilers have not been 83 | tested. 84 | 85 | Additional details and user instructions are provided in the documents 86 | bundled with the package. Users are requested to offer feedback to EPRI 87 | and the model developers on the model, including bug reports, and 88 | additional features that would make the model more useful to the air 89 | quality modeling community. 90 | 91 | **BEST PRACTICES** 92 | 93 | Some guidelines for creating good project input files for SCICHEM are 94 | provided below: 95 | 96 | 1) With observed meteorology, if a terrain file is being provided 97 | separately then the terrain grid dimensions should be limited to a grid 98 | of less than 100x100 cells. Using more grid cells will result in 99 | significant increases in run time, because SCICHEM conducts mass 100 | consistent wind field calculations. For high resolution runs, mass 101 | consistent wind fields should be generated using a meteorological model 102 | (e.g., WRF) and provided to SCICHEM as gridded meteorological fields. 103 | Note that WRF fields can be directly read by SCICHEM, or the MMIF 104 | processor mentioned above can be used to create gridded meteorological 105 | files in SCICHEM format. 106 | 107 | 2) The model can output time-averaged concentrations at selected 108 | receptor locations at runtime. However CPU requirements increase 109 | significantly with the number of samplers/receptors specified ahead 110 | of time. Hence, for surface samplers/receptors, it is recommended 111 | that the user calculate these concentrations as a post-processing 112 | step using the provided postprocessor sciDOSpost. SciDOSpost can read 113 | the surface deposition and dosage files, and calculate output (averaged 114 | concentrations, deposition, visibility obscuration) at arbitrary 115 | receptors (i.e. not specified before the SCICHEM run). For samplers 116 | that are not at the surface (e.g., at locations corresponding to 117 | aircraft measurements), the user can define a maximum of 5000 118 | sampling locations. 119 | 120 | 3) The large scale variance type (ENSM_TYPE) should be set to none for 121 | small domains (~<150 kms) 122 | --------------------------------------------------------------------------------